UCSF

ZINC28863097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 43 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.09 2.8 -51.37 8 13 1 196 596.709 16
Hi High (pH 8-9.5) -0.09 1.54 -21.55 7 13 0 192 595.701 16

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )